| Properties | Image |
|---|
| MNX_ID | MNXM1138290 |
 |
| reference | envipathM:...81cdd5d0c0d7 |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | HDUQDNJDEQLNKA-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-17-36(49)25(43)12-32(52-17)56-38-19(3)54-33(14-27(38)45)57-37-18(2)53-31(13-26(37)44)55-22-6-7-39(4)21(9-22)10-24(42)35-23(39)11-29(47)40(5)34(20-8-30(48)51-16-20)28(46)15-41(35,40)50/h17-24,26-27,29,31-38,42,44-45,47,49-50H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(C6COC(=O)C6)C(=O)CC45O)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-17-36(49)25(43)12-32(52-17)56-38-19(3)54-33(14-27(38)45)57-37-18(2)53-31(13-26(37)44)55-22-6-7-39(4)21(9-22)10-24(42)35-23(39)11-29(47)40(5)34(20-8-30(48)51-16-20)28(46)15-41(35,40)50/h17-24,26-27,29,31-38,42,44-45,47,49-50H,6-16H2,1-5H3/t17?,18?,19?,20?,21?,22?,23?,24?,26?,27?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:36]([OH:49])[C:25](=[O:43])[CH2:12][CH:32]([O:56][CH:38]2[CH:19]([CH3:3])[O:54][CH:33]([O:57][CH:37]3[CH:18]([CH3:2])[O:53][CH:31]([O:55][CH:22]4[CH2:6][CH2:7][C:39]5([CH3:4])[CH:21]([CH2:9]4)[CH2:10][CH:24]([OH:42])[CH:35]4[CH:23]5[CH2:11][CH:29]([OH:47])[C:40]5([CH3:5])[CH:34]([CH:20]6[CH2:8][C:30](=[O:48])[O:51][CH2:16]6)[C:28](=[O:46])[CH2:15][C:41]45[OH:50])[CH2:13][CH:26]3[OH:44])[CH2:14][CH:27]2[OH:45])[O:52]1 |
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